KEGG   COMPOUND: C07919Help
Entry
C07919                      Compound                               

Name
Metocurine
Formula
C40H48N2O6
Exact mass
652.3512
Mol weight
652.8189
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Nicotinic cholinergic receptor antagonists
Other DBs
CAS: 
5152-30-7
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C8y C    29.2633   -7.8237
            2   C1y C    28.1452   -8.5226
            3   C8y C    29.2633   -6.4960
            4   C8y C    30.4513   -8.5226
            5   N2y N    26.9573   -7.8237 #+
            6   C1x C    28.1452   -9.8504
            7   C8x C    30.4513   -5.7972
            8   C1x C    28.0754   -5.7972
            9   C8y C    31.6393   -7.8237
            10  C1x C    26.9573   -6.4960
            11  C1a C    25.8392   -7.1948
            12  C8y C    26.9573  -10.8986
            13  C8y C    31.6393   -6.4960
            14  O2a O    32.7574   -8.5226
            15  C8x C    25.8392  -10.2697
            16  C8x C    26.9573  -12.2263
            17  O2a O    32.7574   -5.7972
            18  C8x C    24.6512  -10.8986
            19  C8y C    25.9090  -12.9252
            20  C1a C    33.8755   -6.4960
            21  C8y C    24.6512  -12.2263
            22  O2a O    23.4632  -12.9252
            23  C1a C    25.8392   -8.5226
            24  O2x O    30.4513   -9.8504
            25  N2y N    31.8489  -15.3710 #+
            26  C1y C    30.6610  -14.6722
            27  C1x C    31.8489  -16.8385
            28  C8y C    29.4730  -15.3710
            29  C1x C    32.8273  -13.7637
            30  C1x C    30.6610  -17.4674
            31  C8y C    29.4730  -16.7686
            32  C8x C    28.2850  -14.7421
            33  C8x C    31.5694  -12.2962
            34  C8x C    28.2850  -17.4674
            35  C8y C    27.0970  -15.3710
            36  C8y C    32.8273  -12.9950
            37  C8x C    31.5694  -10.8986
            38  C8y C    27.0970  -16.7686
            39  O2x O    25.9090  -14.6722
            40  C8x C    34.0153  -12.2962
            41  C8y C    32.7574  -10.1998
            42  O2a O    25.9090  -17.4674
            43  C8x C    34.0153  -10.8287
            44  C1a C    24.6512  -16.8385
            45  C1a C    33.0369  -14.6722
            46  C1a C    33.9883   -7.8683
            47  C1a C    33.0613  -16.0710
            48  C1a C    22.2460  -12.2356
BOND        54
            1    21  22 1
            2     8  10 1
            3     9  13 1
            4    19  21 1
            5    23   5 1
            6     4  24 1
            7     1   2 1
            8     1   3 2
            9     1   4 1
            10    2   5 1
            11    2   6 1
            12    3   7 1
            13    3   8 1
            14    4   9 2
            15    5  10 1
            16    5  11 1
            17    6  12 1
            18    7  13 2
            19    9  14 1
            20   12  15 2
            21   12  16 1
            22   13  17 1
            23   15  18 1
            24   16  19 2
            25   17  20 1
            26   18  21 2
            27   25  26 1
            28   25  27 1
            29   26  28 1
            30   26  29 1
            31   27  30 1
            32   28  31 2
            33   28  32 1
            34   31  34 1
            35   32  35 2
            36   33  36 2
            37   33  37 1
            38   34  38 2
            39   35  39 1
            40   36  40 1
            41   37  41 2
            42   38  42 1
            43   40  43 2
            44   42  44 1
            45   30  31 1
            46   35  38 1
            47   41  43 1
            48   25  45 1
            49   24  41 1
            50   19  39 1
            51   36  29 1
            52   14  46 1
            53   25  47 1
            54   22  48 1

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